SCHEMBL12817962

SCHEMBL12817962

O=c1[nH]oc2cc[c]cc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.53
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ CTNNB1 P35222 1/20 0.31
▸ TCF7L2 Q9NQB0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL482151 0.70 DAO (1.00) DAOAKR1C3AKR1C2
SCHEMBL1460498 0.68 MAOA (0.53) —
SCHEMBL5133924 0.66 KDM4E (0.33) —
SCHEMBL353863 0.66 ALOX5 (0.38) DAO
SCHEMBL30716975 0.64 DAO (0.53) DAOAKR1C3AKR1C2
SCHEMBL2873532 0.64 — —
SCHEMBL12432742 0.64 DAO (0.53) DAOAKR1C3AKR1C2CTNNB1TCF7L2
SCHEMBL31538134 0.64 DAO (0.53) DAOAKR1C3AKR1C2
SCHEMBL482202 0.64 DAO (0.53) DAOAKR1C3AKR1C2
SCHEMBL14644667 0.64 DAO (0.53) DAOAKR1C3AKR1C2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 — — WO disclosed
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